S543-0611 Screening compound: 1-cyclopropyl-1-[9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea

S543-0611 Screening compound: 1-cyclopropyl-1-[9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea
S543-0611 Screening compound: 1-cyclopropyl-1-[9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S543-0611
1-cyclopropyl-1-[9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S543-0611

Molecular Formula

C22H34N4O3S (C22 H34 N4 O3 S)

Compound Name

1-cyclopropyl-1-[9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea

IUPAC name

1-cyclopropyl-1-[9-(24-dimethyl-13-thiazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(C1CC1)C1CC(CC2)(CCN2C(c2c(C)nc(C)s2)=O)OCC1)=O

InChI

InChI=1S/C22H34N4O3S/c1-14(2)23-21(28)26(17-5-6-17)18-7-12-29-22(13-18)8-10-25(11-9-22)20(27)19-15(3)24-16(4)30-19/h14,17-18H,5-13H2,1-4H3,(H,23,28)/t18-/m1/s1

InChI Key

QSVIVHUPFOSBFJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD28994001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.27

Polar Surface Area

57.942

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.27

S543-0611 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S543-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S543-0611?
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What is the minimum amount of S543-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S543-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S543-0611
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S543-0611 available by request